REMARK  Name = BDB062930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.458  -1.929  -0.901  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -1.642  -1.084  -1.027  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.593   0.038  -1.827  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.559   0.286  -2.458  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -2.747  -1.604  -0.236  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -2.141  -2.730   0.592  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.987  -3.221  -0.277  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.830   0.978  -1.913  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -4.018   0.210  -2.548  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -4.756   1.180  -3.476  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -3.967   2.479  -3.462  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -2.581   2.073  -2.987  0.00  0.00    +0.021 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.109   1.677  -0.568  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -4.407   1.898  -0.076  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -4.610   2.542   1.149  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -6.215   2.788   1.724  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.532   2.984   1.907  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.239   2.788   1.433  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -2.030   2.149   0.208  0.00  0.00    +0.005 A 
ENDBRANCH   8  13
ENDBRANCH   3   8
BRANCH   1  22
ATOM     20  N   LIG    1        1.880  -1.828  -0.207  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        1.976  -2.441  -1.007  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        0.617  -1.293   0.018  0.00  0.00    +0.238 C 
ATOM     23  O   LIG    1        0.331  -0.465   0.880  0.00  0.00    -0.273 OA
BRANCH  20  27
ATOM     24  C   LIG    1        5.538  -1.071   1.769  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        4.368  -0.476   2.249  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        3.143  -0.709   1.609  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        3.071  -1.541   0.489  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        4.244  -2.150   0.025  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        5.469  -1.921   0.661  0.00  0.00    +0.015 A 
BRANCH  24  33
ATOM     30  C   LIG    1        8.312   0.694   3.640  0.00  0.00    +0.128 C 
ATOM     31  N   LIG    1        7.029   0.340   3.087  0.00  0.00    -0.314 N 
ATOM     32  H   LIG    1        6.371   1.087   2.915  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1        6.862  -0.855   2.416  0.00  0.00    +0.244 C 
ATOM     34  O   LIG    1        7.744  -1.700   2.309  0.00  0.00    -0.270 OA
ENDBRANCH  24  33
ENDBRANCH  20  27
ENDBRANCH   1  22
TORSDOF 5